Luigi Leanza

[Youzhi Xu Group @xu_youzhi]

During my PhD with @mvdelius, we achieved the first CPP-based rotaxane. Six years later, in the first paper from my own group, we report the synthesis of a CPP hetero[3]catenane using a ring-in-ring assembly approach @nanohoops . @ChemRxiv . https://t.co/XIG1LZTPX0

[Luigi Leanza @LeanzaLuigi]

@gippu1 Sarebbe la prima volta che re troverebbe una squadra (Udinese) che ha battuto almeno una volta seconda (Milan), terza (Juventus), e quarta (Bologna) in classifica?

[Giovanni M. Pavan Lab @LabPavan]

Recent simulations showed non-trivial dynamics in metals. But these often remain hard to prove experimentally.
Here we combine for the 1st time experimentally-resolved Au-NP structures with MD simulations & #ML, proving their real-time atomic dynamics!
https://t.co/FpN2OcCNMi

[Giovanni M. Pavan Lab @LabPavan]

Tracking statistically-relevant fluctuations in noisy time-series data is key in many fields, from #MachineLearning, to the study of signals & complex systems!
Use Onion #Clustering🧅: easy, unsupervised, physically-interpretable, statistically-robust!🚀🤯
https://t.co/2x5dBCkkUQ

[Luigi Leanza @LeanzaLuigi]

@ultimora_pol Taser. Il teaser è quello dei film.

[Giovanni M. Pavan Lab @LabPavan]

New @MLSTjournal: Combining local structural (SOAP) & dynamical (LENS) descriptors
1) improves the 2 separating relevant dynamical fluctuations from noise🚀
2) unveils microscopic structure-dynamic relationships for a variety of complex molecular systems🤯
https://t.co/G7NmeXGjfg

[Giovanni M. Pavan Lab @LabPavan]

Fresh @ J. Chem. Eng. Data the new work of @mattiaperr! 🥳🤩
We tested SwarmCG to automatically optimize rigid 3-site water models onto multiple microscopic (exp. g(r))+macroscopic thermodynamic properties, hitting the physical limits of such models!🧐🤯
https://t.co/kOlbQvUBp3

[Giovanni M. Pavan Lab @LabPavan]

It’s that special time of year when our PhD students showcase their research to the @PoliTOnews community. A big congrats to @martanit and @MatteoCioniMC on their presentations! 👏

[Delius Lab 🇪🇺🇺🇦 @mvdelius]

Check out our massive review article on "Recent advances in supramolecular fullerene chemistry" (focus 2013-2023). Hope it will be useful and inspire further research! Apologies for any omissions. With: @XingmaoChang and @xu_youzhi.
https://t.co/SvwSeR8Ed9

[MME_group @UCL_MMEgroup]

Developing optimal models of reaction coordinates for MD sims is an interdisciplinary challenge! We seek a PhD student (UK/EU/OS) to attack this problem with genetic programming under the guidance of @ericsfraga (lead) and @matteoslvlgl. RTs welcome!
https://t.co/ZqRoLBtgcG

[Giovanni M. Pavan Lab @LabPavan]

And with this we are thrilled to announce the successful completion of the first generation of PhD students in our group! Kudos to @agardinon, @LeanzaLuigi, and @LionelloChiara!!

[IQCC UdG @IQCCUdG]

Check our latest work about Synthesis of C60/[10]CPP-Catenanes by Regioselective, Nanocapsule-Templated..by @ernestubasart @miriampucr @ribas_xavi in collaboration with @mvdelius @LabPavan in @angew_chem

#IQCCpaper #openaccess @QBIScat_UdG @QBIScat_UdG

https://t.co/ZKVl2TCDJp

[Giovanni M. Pavan Lab @LabPavan]

Even at low T, metal nanoparticles possess atomic dynamics that are key for their properties but hard to elucidate.🧐
Now @ChemRxiv
"Sampling real-time atomic dynamics in metal nanoparticles by combining experiments, simulations, & machine learning" 🤯
https://t.co/d4IuBiqPIv

[Giovanni M. Pavan Lab @LabPavan]

Now @arxiv: @martanit shows what you get combining SOAP & LENS descriptors into structural+dynamic datasets:🚀🍾
1) The 2 descriptors complete each other!🧐
2) Microscopic structure-dynamics relationships for a variety of complex molecular systems!🤯
https://t.co/16INqTwEFU

[Luigi Leanza @LeanzaLuigi]

Our last collaborative work with @mvdelius is finally online!🚀 Read the article to see beautiful catenanes and interesting simulations 🔗🔬💻 @LabPavan

[Delius Lab 🇪🇺🇺🇦 @mvdelius]

Just out in @angew_chem: our most challenging study on controlling C60 bis-addition selectivity yet (itero, regio, diastereo). Thanks to @ribas_xavi's nanocapsule and our favorite💍[10]CPP we got 87% selectivity for the "in,out-trans-3" catenane isomer 👏
https://t.co/7mSPwTJhAP

[Delius Lab 🇪🇺🇺🇦 @mvdelius]

Just out in @angew_chem: our most challenging study on controlling C60 bis-addition selectivity yet (itero, regio, diastereo). Thanks to @ribas_xavi's nanocapsule and our favorite💍[10]CPP we got 87% selectivity for the "in,out-trans-3" catenane isomer 👏
https://t.co/7mSPwTJhAP

[Giovanni M. Pavan Lab @LabPavan]

@mattiaperr tested #SwarmCG to optimize 3-site rigid water models!🥤🌊
@ChemRxiv: "Lessons learned from multi-objective automatic optimizations of classical three-site rigid water models using microscopic and macroscopic target experimental observables"!🧐
https://t.co/Y9cJrUCSES

[Giovanni M. Pavan Lab @LabPavan]

New @PNASNews our descriptor "Local Environments & Neighbors Shuffling (LENS🔍)"!🥳🍾
Via #MachineLearning LENS allows detecting dynamic domains & local fluctuations in complex molecular systems via timelapse neighbors shuffling.🤯🤓
General & simple!!🧐🚀
https://t.co/aJMDXnZOvh

[Matteo Cioni @MatteoCioniMC]

Hey @GeoGuesser! 😡 Love your game, but the 19/07 challenge? Big OUCH! 🤦‍♂️ Nailed it with Lesotho (🇱🇸 ftw!) but your glitchy algorithm snatched away 1000+ points. 📉 Checked the rules, that's NOT how it's supposed to go! 📚 Seeking #JusticeForGmplab. Round review, please? 🧐💻

[Luigi Leanza @LeanzaLuigi]

@floriandietrix Congrats Florian, really cool work 👏